4-[(benzoyloxy)imino]-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
Chemical Structure Depiction of
4-[(benzoyloxy)imino]-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
4-[(benzoyloxy)imino]-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
Compound characteristics
| Compound ID: | 8755-0344 |
| Compound Name: | 4-[(benzoyloxy)imino]-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | C1CCC2=Nc3c(C(N2CC1)=O)c1CCC/C(c1s3)=N/OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9322 |
| logD: | 3.9322 |
| logSw: | -4.2931 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.866 |
| InChI Key: | CXIYBFADLSLZGN-UHFFFAOYSA-N |